Quantum-chemical approach to optimization of the synthesis conditions of two-component phosphorus-titanium oxide structures on silica surface

The features of formation of a two-component phosphorus-titanium oxide coating on the silica surface by sequential treatment of the substrate with POCl₃ and TiCl₄ vapors were analyzed with application of quantum-chemical approaches. An experimental synthesis of two-component coatings under conditions selected on the basis of theoretical calculations yielded coatings whose composition corresponded to the model predictions. The structure of the resulting coatings was studied by Fourier-transform IR spectroscopy, electronic diffuse reflectance spectroscopy, and chemical analysis.